ethyl 5-methylsulfanyl-3-oxidanylidene-2-(2-phenylethanoyl)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methylsulfanyl-3-oxidanylidene-2-(2-phenylethanoyl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-methylsulfanyl-3-oxo-2-(2-phenylacetyl)-1H-pyrazole-4-carboxylate CAS Name: 5-(methylthio)-3-oxo-2-(1-oxo-2-phenylethyl)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methylsulfanyl-3-oxo-2-(2-phenylacetyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-keto-3-(methylthio)-1-(2-phenylacetyl)-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN(C1=O)C(=O)CC2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=C(NN(C1=O)C(=O)CC2=CC=CC=C2)SC

InChI

InChI=1S/C15H16N2O4S/c1-3-21-15(20)12-13(22-2)16-17(14(12)19)11(18)9-10-7-5-4-6-8-10/h4-8,16H,3,9H2,1-2H3